COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       2.477   0.741   1.060  1.00  0.00           C  
HETATM    2  C   UNL     1       3.459   1.769   0.493  1.00  0.00           C  
HETATM    3  CA  UNL     1      -0.875   1.397   2.753  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.938   1.082   4.251  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.159   0.914   2.072  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.095   2.097   1.822  1.00  0.00           C  
HETATM    7  C   UNL     1       4.657   1.057  -0.080  1.00  0.00           C  
HETATM    8  C   UNL     1       4.659   0.666  -1.406  1.00  0.00           C  
HETATM    9  C   UNL     1       5.758   0.013  -1.933  1.00  0.00           C  
HETATM   10  C   UNL     1       6.856  -0.250  -1.132  1.00  0.00           C  
HETATM   11  C   UNL     1       6.853   0.142   0.196  1.00  0.00           C  
HETATM   12  C   UNL     1       5.755   0.800   0.719  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.066   2.463   0.359  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.149  -2.506  -0.689  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.070  -3.441   0.003  1.00  0.00           C  
HETATM   16  N   UNL     1       1.933  -0.107  -0.021  1.00  0.00           N  
HETATM   17  C   UNL     1       0.994   0.450  -0.836  1.00  0.00           C  
HETATM   18  O   UNL     1       0.721   1.628  -0.758  1.00  0.00           O  
HETATM   19  CA  UNL     1       0.296  -0.412  -1.855  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.614  -1.336  -1.171  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.493   0.459  -2.831  1.00  0.00           C  
HETATM   22  C   UNL     1       1.326   1.439   1.742  1.00  0.00           C  
HETATM   23  N   UNL     1       0.266   0.682   2.144  1.00  0.00           N  
HETATM   24  O   UNL     1       1.346   2.638   1.920  1.00  0.00           O  
HETATM   25  N   UNL     1      -1.517   1.235  -2.102  1.00  0.00           N  
HETATM   26  O   UNL     1      -2.265   3.283  -0.040  1.00  0.00           O  
HETATM   27  F   UNL     1       7.930  -0.888  -1.645  1.00  0.00           F  
HETATM   28  O   UNL     1       1.023  -2.795  -0.822  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.351  -3.271   0.215  1.00  0.00           N  
HETATM   30  O   UNL     1      -2.830  -4.213   0.802  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.914  -5.155   1.064  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.740  -4.706   0.564  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.147  -6.462   1.778  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.810   1.072  -2.508  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.102   0.209  -3.308  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.868   1.996  -1.963  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.243   1.612  -2.514  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.008   0.966  -1.350  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.078   1.061  -0.135  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.932   1.891  -0.501  1.00  0.00           N  
HETATM   41  O   UNL     1       0.223   1.607   4.898  1.00  0.00           O  
HETATM   42  HA  UNL     1       2.998   0.112   1.788  1.00  0.00           H  
HETATM   43  H   UNL     1       2.969   2.345  -0.292  1.00  0.00           H  
HETATM   44  H   UNL     1       3.782   2.441   1.288  1.00  0.00           H  
HETATM   45  HA  UNL     1      -0.762   2.470   2.608  1.00  0.00           H  
HETATM   46  H1  UNL     1      -1.830   1.539   4.681  1.00  0.00           H  
HETATM   47  H2  UNL     1      -0.978   0.003   4.394  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.908   0.445   1.120  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.658   0.186   2.714  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.110   1.822   2.108  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.770   2.952   2.414  1.00  0.00           H  
HETATM   52  H   UNL     1       3.802   0.870  -2.031  1.00  0.00           H  
HETATM   53  H   UNL     1       5.759  -0.293  -2.969  1.00  0.00           H  
HETATM   54  H   UNL     1       7.709  -0.062   0.822  1.00  0.00           H  
HETATM   55  H   UNL     1       5.754   1.109   1.754  1.00  0.00           H  
HETATM   56  H   UNL     1       2.231  -1.027  -0.146  1.00  0.00           H  
HETATM   57  HA  UNL     1       1.043  -0.986  -2.408  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.550  -1.105  -1.065  1.00  0.00           H  
HETATM   59  H   UNL     1       0.188   1.147  -3.336  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.973  -0.176  -3.578  1.00  0.00           H  
HETATM   61  H   UNL     1       0.262  -0.285   2.036  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.289   1.834  -1.373  1.00  0.00           H  
HETATM   63  H   UNL     1       0.222  -5.195   0.583  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.197  -6.540   2.062  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.887  -7.289   1.117  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.525  -6.503   2.673  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.628   3.025  -2.244  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.769   2.504  -2.859  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.140   0.904  -3.335  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.931   1.513  -1.161  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.229  -0.077  -1.577  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.614   1.520   0.697  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.741   0.066   0.152  1.00  0.00           H  
HETATM   74  H   UNL     1       0.250   1.444   5.850  1.00  0.00           H  
CONECT    1   22   16    2   42                                       
CONECT    2    1    7   43   44                                       
CONECT    3    5    4   23   45                                       
CONECT    4    3   41   46   47                                       
CONECT    5    6    3   48   49                                       
CONECT    6   13    5   50   51                                       
CONECT    7    2   12   12    8                                       
CONECT    8    7    9    9   52                                       
CONECT    9    8    8   10   53                                       
CONECT   10   11   11    9   27                                       
CONECT   11   12   10   10   54                                       
CONECT   12    7    7   11   55                                       
CONECT   13   26   26   40    6                                       
CONECT   14   15   20   28   28                                       
CONECT   15   29   29   32   14                                       
CONECT   16   17    1   56                                            
CONECT   17   18   18   19   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   21   17   57                                       
CONECT   20   14   19   58                                            
CONECT   21   25   19   59   60                                       
CONECT   22   23   24   24    1                                       
CONECT   23    3   22   61                                            
CONECT   24   22   22                                                 
CONECT   25   34   21   62                                            
CONECT   26   13   13                                                 
CONECT   27   10                                                      
CONECT   28   14   14                                                 
CONECT   29   30   15   15                                            
CONECT   30   29   31                                                 
CONECT   31   30   33   32   32                                       
CONECT   32   31   31   15   63                                       
CONECT   33   31   64   65   66                                       
CONECT   34   36   25   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   40   37   34   67                                       
CONECT   37   38   36   68   69                                       
CONECT   38   39   37   70   71                                       
CONECT   39   38   40   72   73                                       
CONECT   40   39   13   36                                            
CONECT   41    4   74                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   41                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
